Vitas-M small molecule compound

7-(2-chlorobenzyl)-1,3-dimethyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK839865
SMILES Clc1ccccc1Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCC1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H20ClN5O2 MW 373.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN5O2/c1-21-15-14(16(25)22(2)18(21)26)24(11-12-7-3-4-8-13(12)19)17(20-15)23-9-5-6-10-23/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKey
QKGCBEPKXQPKTN-UHFFFAOYSA-N
Synonyms
377055-18-0
377055180
7((2CHLOROPHENYL)METHYL)13DIMETHYL8PYRROLIDIN1YLPURINE26DIONE
7((2CHLOROPHENYL)METHYL)13DIMETHYL8PYRROLIDINYL137TRIHYDROPURINE26DIONE
7(2CHLOROBENZYL)13DIMETHYL8(PYRROLIDIN1YL)1HPURINE26(3H7H)DIONE
7(2chlorobenzyl)13dimethyl8(pyrrolidin1yl)37dihydro1Hpurine26dione
7(2CHLOROBENZYL)13DIMETHYL8PYRROLIDIN1YL37DIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC=CC=C4Cl
InChI=1SC18H20ClN5O2c1211514(16(25)22(2)18(21)26)24(1112734813(12)19)17(2015)239561023h3478H56911H212H3
MFCD02983315
ZINC000000629272
ZINC00629272
ZINC629272

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.